4-(6,10-diazaspiro[4.6]undecan-10-yl)-N-methyl-N-propan-2-ylbutan-1-amine

C17H35N3 — CID 64951140

IUPAC4-(6,10-diazaspiro[4.6]undecan-10-yl)-N-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)N(C)CCCCN1CCCNC2(CCCC2)C1
InChIInChI=1S/C17H35N3/c1-16(2)19(3)12-6-7-13-20-14-8-11-18-17(15-20)9-4-5-10-17/h16,18H,4-15H2,1-3H3
InChIKeyLXINCLKWLTVCLG-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.71
Rot. Bonds6

About 4-(6,10-diazaspiro[4.6]undecan-10-yl)-N-methyl-N-propan-2-ylbutan-1-amine

4-(6,10-diazaspiro[4.6]undecan-10-yl)-N-methyl-N-propan-2-ylbutan-1-amine (PubChem CID 64951140) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is 4-(6,10-diazaspiro[4.6]undecan-10-yl)-N-methyl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name4-(6,10-diazaspiro[4.6]undecan-10-yl)-N-methyl-N-propan-2-ylbutan-1-amine
PubChem CID64951140
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC Name4-(6,10-diazaspiro[4.6]undecan-10-yl)-N-methyl-N-propan-2-ylbutan-1-amine
SMILESCC(C)N(C)CCCCN1CCCNC2(CCCC2)C1
InChIInChI=1S/C17H35N3/c1-16(2)19(3)12-6-7-13-20-14-8-11-18-17(15-20)9-4-5-10-17/h16,18H,4-15H2,1-3H3
InChIKeyLXINCLKWLTVCLG-UHFFFAOYSA-N
XLogP2.71
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6,10-diazaspiro[4.6]undecan-10-yl)-N-methyl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 4-(6,10-diazaspiro[4.6]undecan-10-yl)-N-methyl-N-propan-2-ylbutan-1-amine (CID 64951140) is 4-(6,10-diazaspiro[4.6]undecan-10-yl)-N-methyl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 4-(6,10-diazaspiro[4.6]undecan-10-yl)-N-methyl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 4-(6,10-diazaspiro[4.6]undecan-10-yl)-N-methyl-N-propan-2-ylbutan-1-amine is CC(C)N(C)CCCCN1CCCNC2(CCCC2)C1.
What is the InChIKey of 4-(6,10-diazaspiro[4.6]undecan-10-yl)-N-methyl-N-propan-2-ylbutan-1-amine?
The InChIKey is LXINCLKWLTVCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-16(2)19(3)12-6-7-13-20-14-8-11-18-17(15-20)9-4-5-10-17/h16,18H,4-15H2,1-3H3.
What are the key properties of 4-(6,10-diazaspiro[4.6]undecan-10-yl)-N-methyl-N-propan-2-ylbutan-1-amine?
4-(6,10-diazaspiro[4.6]undecan-10-yl)-N-methyl-N-propan-2-ylbutan-1-amine has a molecular weight of 281.49 g/mol, XLogP of 2.71, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,10-diazaspiro[4.6]undecan-10-yl)-N-methyl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 64951140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).